Geometry & MOs

Info

ID:	144389
PubChem CID:	53359632
Reduced:	ClNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	432.209616
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	6.77
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(dipropylamino)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(C=CC(=C2)Cl)O[C@H]1OC)C[N+](=O)[O-]

DOS

IR

Vibrations